CID 68959143

2-methyl-2-(thiophen-3-yl)propanenitrile

Structural Information

Molecular Formula
C8H9NS
SMILES
CC(C)(C#N)C1=CSC=C1
InChI
InChI=1S/C8H9NS/c1-8(2,6-9)7-3-4-10-5-7/h3-5H,1-2H3
InChIKey
CEYWCJRUFFJXTQ-UHFFFAOYSA-N
Compound name
2-methyl-2-thiophen-3-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

151.04558 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05286 139.8
[M+Na]+ 174.03480 150.9
[M-H]- 150.03830 144.3
[M+NH4]+ 169.07940 161.5
[M+K]+ 190.00874 148.4
[M+H-H2O]+ 134.04284 128.5
[M+HCOO]- 196.04378 155.4
[M+CH3COO]- 210.05943 187.0
[M+Na-2H]- 172.02025 142.8
[M]+ 151.04503 136.9
[M]- 151.04613 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe